3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

C10H9N3O3 — CID 66162085

IUPAC3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cncn2C2CC2)no1
InChIInChI=1S/C10H9N3O3/c14-10(15)9-3-7(12-16-9)8-4-11-5-13(8)6-1-2-6/h3-6H,1-2H2,(H,14,15)
InChIKeyXLNXXHBDKUHRHE-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.57
Rot. Bonds3

About 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 66162085) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID66162085
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cncn2C2CC2)no1
InChIInChI=1S/C10H9N3O3/c14-10(15)9-3-7(12-16-9)8-4-11-5-13(8)6-1-2-6/h3-6H,1-2H2,(H,14,15)
InChIKeyXLNXXHBDKUHRHE-UHFFFAOYSA-N
XLogP1.57
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 66162085) is 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cncn2C2CC2)no1.
What is the InChIKey of 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is XLNXXHBDKUHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-10(15)9-3-7(12-16-9)8-4-11-5-13(8)6-1-2-6/h3-6H,1-2H2,(H,14,15).
What are the key properties of 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 66162085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).